Arsentsumebite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R070629 Zubkova N V, Pushcharovsky D Y, Giester G, Tillmanns E, Pekov I V, Kleimenov D A Mineralogy and Petrology 75 (2002) 79-88 The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH) Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia CELL PARAMETERS: 7.7900 5.8810 9.0800 90.000 112.360 90.000 SPACE GROUP: P2_1/m ATOM X Y Z OCCUPANCY ISO(B) Pb 0.71630 0.25000 0.24120 1.000 3.400 Pb 0.29870 0.25000 0.38690 1.000 2.800 Cu 0.00000 0.00000 0.00000 1.000 1.500 As 0.55840 0.25000 -0.17150 0.630 1.000 S 0.55840 0.25000 -0.17150 0.370 1.000 As -0.04490 0.25000 -0.35020 0.370 1.200 S -0.04490 0.25000 -0.35020 0.630 1.200 OH 0.17070 0.25000 0.08110 1.000 0.900 O -0.24130 0.25000 -0.46820 1.000 2.900 O 0.09280 0.25000 0.55630 1.000 4.800 O 0.43360 0.25000 0.93460 1.000 3.800 O 0.77540 0.25000 -0.05430 1.000 2.100 O -0.00020 0.03020 -0.24100 1.000 2.600 O 0.50990 0.02520 -0.28750 1.000 2.500 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 6 +/- 5 +/- 7 MAX. ABS. INTENSITY / VOLUME**2: 99.28163808 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 10.53 7.71 8.3973 0 0 1 12.29 1.18 7.2043 1 0 0 18.42 47.37 4.8171 0 1 1 19.04 2.64 4.6612 1 0 1 19.48 1.98 4.5558 1 1 0 19.81 6.03 4.4818 -1 1 1 20.02 1.78 4.4351 -1 0 2 21.16 9.29 4.1986 0 0 2 22.86 9.61 3.8896 -2 0 1 24.37 25.49 3.6530 1 1 1 24.72 5.19 3.6021 2 0 0 25.15 1.45 3.5410 -1 1 2 25.74 9.52 3.4609 -2 0 2 26.08 13.63 3.4171 0 1 2 27.49 100.00 3.2443 -2 1 1 28.38 18.52 3.1443 1 0 2 29.51 41.31 3.0266 -1 0 3 29.96 19.80 2.9827 -2 1 2 30.40 33.51 2.9405 0 2 0 30.50 4.89 2.9310 2 0 1 31.97 2.69 2.7991 0 0 3 32.18 1.69 2.7816 -2 0 3 32.26 9.67 2.7753 0 2 1 32.28 42.53 2.7729 1 1 2 32.90 7.38 2.7225 1 2 0 33.10 4.62 2.7064 -1 2 1 33.29 6.70 2.6911 -1 1 3 34.18 15.34 2.6233 2 1 1 35.71 7.04 2.5145 -2 1 3 36.12 1.34 2.4870 1 2 1 36.67 7.06 2.4508 -1 2 2 37.33 5.00 2.4086 0 2 2 37.45 8.46 2.4014 3 0 0 38.05 2.30 2.3651 -3 1 1 38.69 5.06 2.3273 1 0 3 39.04 1.31 2.3073 -3 0 3 39.56 23.26 2.2779 2 2 0 40.24 3.68 2.2409 -2 2 2 40.69 1.45 2.2175 -2 0 4 41.74 1.81 2.1640 1 1 3 42.07 3.45 2.1477 1 2 2 42.88 12.76 2.1092 -1 1 4 42.88 17.46 2.1090 -1 2 3 42.93 2.96 2.1067 3 0 1 44.85 8.00 2.0207 -2 2 3 45.75 8.15 1.9833 3 1 1 46.71 6.37 1.9448 -4 0 2 46.81 1.03 1.9407 -3 2 1 47.64 4.40 1.9090 0 3 1 47.99 15.28 1.8956 -3 1 4 48.16 1.01 1.8893 2 0 3 48.60 6.20 1.8732 -4 0 3 48.97 2.06 1.8600 3 2 0 49.35 2.56 1.8465 -4 1 2 49.98 7.66 1.8249 1 2 3 50.05 3.94 1.8225 -4 1 1 50.26 2.75 1.8152 -3 2 3 50.51 2.58 1.8070 1 3 1 50.69 3.91 1.8011 4 0 0 50.92 2.05 1.7934 -1 0 5 51.44 1.81 1.7763 0 3 2 52.18 8.22 1.7531 1 1 4 52.26 11.05 1.7506 -2 3 1 52.91 1.30 1.7304 -4 0 4 52.96 1.73 1.7290 3 1 2 53.37 2.96 1.7168 -3 0 5 53.51 7.29 1.7125 3 2 1 53.64 1.60 1.7086 0 2 4 53.74 2.74 1.7057 -2 3 2 54.65 2.13 1.6795 0 0 5 55.22 7.12 1.6635 1 3 2 55.34 2.13 1.6601 -4 1 4 55.52 1.30 1.6551 -3 2 4 55.78 1.28 1.6480 -3 1 5 55.88 1.29 1.6453 -1 3 3 56.47 1.82 1.6295 2 3 1 56.75 7.90 1.6221 -4 2 2 57.03 1.04 1.6149 0 1 5 57.38 1.03 1.6058 -4 2 1 58.41 2.03 1.5799 -4 2 3 59.49 3.53 1.5537 3 0 3 60.05 3.13 1.5408 3 2 2 60.46 6.84 1.5311 -1 2 5 60.96 1.09 1.5197 -5 0 1 61.01 2.33 1.5188 2 1 4 61.25 1.44 1.5133 -2 0 6 62.75 2.38 1.4807 -1 3 4 63.19 2.33 1.4714 -5 1 1 63.25 5.92 1.4703 0 4 0 63.48 1.32 1.4655 -2 1 6 64.98 2.11 1.4351 3 3 1 65.05 2.88 1.4337 -3 1 6 66.78 4.56 1.4008 -3 3 4 66.85 1.05 1.3995 5 1 0 67.57 1.66 1.3864 2 2 4 67.68 1.00 1.3844 -5 0 5 68.27 2.26 1.3738 3 2 3 68.46 1.30 1.3705 -4 3 1 70.23 2.75 1.3403 1 3 4 70.74 1.60 1.3318 1 4 2 71.32 3.99 1.3225 -1 4 3 72.45 1.54 1.3045 5 1 1 73.14 2.09 1.2939 5 2 0 75.02 1.91 1.2661 -6 1 3 75.88 1.20 1.2539 3 4 0 75.98 3.35 1.2525 -5 2 5 76.69 1.84 1.2426 -6 1 4 78.46 1.25 1.2189 2 2 5 80.50 1.14 1.1931 4 2 3 81.56 1.26 1.1803 -3 3 6 81.97 2.01 1.1754 0 1 7 82.19 1.30 1.1728 -4 4 2 83.61 1.41 1.1566 -4 4 3 86.43 2.00 1.1259 -2 5 1 88.82 1.02 1.1016 1 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.